REMARK VINA RESULT: 6.6 2.862 4.829 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 22.414 -7.890 3.384 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 20.292 -8.173 2.519 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 21.493 -7.492 2.674 0.00 0.00 0.265 C ATOM 4 H UNL d 1 19.478 -7.688 2.148 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 21.615 -6.214 1.924 0.00 0.00 0.036 A ATOM 6 C UNL d 1 20.509 -5.647 1.290 0.00 0.00 0.036 A ATOM 7 C UNL d 1 20.701 -4.473 0.588 0.00 0.00 0.117 A ATOM 8 N UNL d 1 21.893 -3.848 0.487 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 22.948 -4.430 1.101 0.00 0.00 0.117 A ATOM 10 C UNL d 1 22.864 -5.605 1.822 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 20.087 -9.379 3.221 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 20.301 -9.208 4.207 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 19.071 -9.558 3.215 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2